1VSM
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1VSK
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1VSE
| ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, LOW MG CONCENTRATION FORM | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE | 著者 | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | 登録日 | 1995-11-29 | 公開日 | 1996-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
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1VSF
| ASV INTEGRASE CORE DOMAIN WITH MN(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MANGANESE (II) ION | 著者 | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | 登録日 | 1995-11-29 | 公開日 | 1996-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
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1HIV
| CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING | 分子名称: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE | 著者 | Thanki, N, Wlodawer, A. | 登録日 | 1992-02-12 | 公開日 | 1993-10-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling. Protein Sci., 1, 1992
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1ZAO
| Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ATP and Manganese Ions | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | 著者 | Laronde-Leblanc, N, Guszczynski, T, Copeland, T, Wlodawer, A. | 登録日 | 2005-04-06 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes. Febs J., 272, 2005
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1ZAR
| Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ADP and Manganese Ions | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | 著者 | Laronde-Leblanc, N, Guszczynski, T, Copeland, T, Wlodawer, A. | 登録日 | 2005-04-06 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes. Febs J., 272, 2005
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5WCM
| Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | 分子名称: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | 著者 | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | 登録日 | 2017-06-30 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010
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1RTA
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1RTB
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7VE0
| Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2021-09-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol, 7, 2024
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7VE2
| Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2021-09-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol, 7, 2024
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7RY7
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5YIA
| Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | 著者 | Rathore, I, Mishra, V, Bhaumik, P. | 登録日 | 2017-10-03 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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5YIE
| Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2017-10-04 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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5YIC
| Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2017-10-03 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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5YIB
| Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | 著者 | Rathore, I, Mishra, V, Bhaumik, P. | 登録日 | 2017-10-03 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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5YID
| Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2017-10-04 | 公開日 | 2018-07-11 | 最終更新日 | 2019-05-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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7BGU
| Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | 分子名称: | Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor | 著者 | Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I. | 登録日 | 2021-01-08 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.433 Å) | 主引用文献 | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. Protein Sci., 30, 2021
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7BGT
| Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | 分子名称: | ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ... | 著者 | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | 登録日 | 2021-01-08 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. Protein Sci., 30, 2021
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4PGA
| GLUTAMINASE-ASPARAGINASE FROM PSEUDOMONAS 7A | 分子名称: | AMMONIUM ION, GLUTAMINASE-ASPARAGINASE, SULFATE ION | 著者 | Jakob, C.G, Lewinski, K, Lacount, M.W, Roberts, J, Lebioda, L. | 登録日 | 1997-01-14 | 公開日 | 1997-07-23 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Ion binding induces closed conformation in Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA-SO4(2-)-NH4+ complex at 1.7 A resolution. Biochemistry, 36, 1997
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8QEV
| Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with carbamoyl phosphate | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ornithine transcarbamylase, ... | 著者 | Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B. | 登録日 | 2023-09-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae . Front Plant Sci, 14, 2023
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8QEU
| Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with ornithine | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-ornithine, ... | 著者 | Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B. | 登録日 | 2023-09-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae . Front Plant Sci, 14, 2023
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8DUF
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6X5N
| Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6 | 分子名称: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | 著者 | Swain, M, Li, M, Woldawer, A, LeGrice, S.F.J. | 登録日 | 2020-05-26 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands. Nucleic Acids Res., 49, 2021
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